(4-pentylphenyl) 2,3-bis(fluoranyl)-4-octyl-benzoate

Systemtic Name: (4-pentylphenyl) 2,3-bis(fluoranyl)-4-octyl-benzoate Openeye Name: (4-pentylphenyl) 2,3-difluoro-4-octyl-benzoate CAS Name: 2,3-difluoro-4-octylbenzoic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 2,3-difluoro-4-octylbenzoate Traditional Name: 2,3-difluoro-4-octyl-benzoic acid (4-amylphenyl) ester Formula: C26H34F2O2 MolecularWeight: 416.543766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C=C1)C(=O)OC2=CC=C(C=C2)CCCCC)F)F

Isomeric SMILES

CCCCCCCCC1=C(C(=C(C=C1)C(=O)OC2=CC=C(C=C2)CCCCC)F)F

InChI

InChI=1S/C26H34F2O2/c1-3-5-7-8-9-11-13-21-16-19-23(25(28)24(21)27)26(29)30-22-17-14-20(15-18-22)12-10-6-4-2/h14-19H,3-13H2,1-2H3